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Products Information


ID: 1701407956
Supplier:Focus Synthesis LLC.

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SMILES:N(CC(F)F)CC(F)F	
FORMULA: C4H7F4N
MASS: 145.0987
EXACT MASS: 145.0514621
INTERATOMIC DISTANCES

              N   1      C   2      C   3      F   4      F   5      F   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.1750     0.0000 
   C   3    1.1625     2.3375     0.0000 
   F   4    1.9460     0.8341     3.0902     0.0000 
   F   5    1.8552     0.8309     2.9834     1.0094     0.0000 
   F   6    1.8420     2.9826     0.8279     3.7834     3.5125     0.0000 
   F   7    1.0405     2.0633     0.8264     2.8898     2.5243     1.0012 
   C   8    0.8279     1.8512     0.8191     2.4889     2.6199     1.6470 
   C   9    0.8309     0.8250     1.8434     1.3230     1.6558     2.6106 
   H  10    1.0471     0.8171     2.0644     1.5910     0.9954     2.5283 
   H  11    1.9216     3.0778     0.8233     3.7750     3.7725     1.0036 

              F   7      C   8      C   9      H  10      H  11
              -------------------------------------------------------
   F   7    0.0000 
   C   8    1.3117     0.0000 
   C   9    1.8711     1.1708     0.0000 
   H  10    1.5333     1.8744     1.3052     0.0000 
   H  11    1.5910     1.3024     2.4681     2.8789     0.0000 



ATOMIC CHARGES
   N   1   -0.2072683491
   C   2    0.2627009731
   C   3    0.2627009731
   F   4   -0.2070418845
   F   5   -0.2070418845
   F   6   -0.2070418845
   F   7   -0.2070418845
   C   8    0.1510921172
   C   9    0.1510921172
   H  10    0.1039248533
   H  11    0.1039248533


BOND ANGLES
   8    1    9   C3   N3   C3     89.794
   4    2    9    F   C3   C3    105.769
   5    2    9    F   C3   C3    179.592
   9    2   10   C3   C3   HC    105.282
   4    2    5    F   C3    F     74.638
   4    2   10    F   C3   HC    148.948
   5    2   10    F   C3   HC     74.310
   6    3    8    F   C3   C3    179.794
   7    3    8    F   C3   C3    105.718
   8    3   11   C3   C3   HC    104.931
   6    3    7    F   C3    F     74.488
   6    3   11    F   C3   HC     74.863
   7    3   11    F   C3   HC    149.351
   1    8    3   N3   C3   C3     89.794
   1    9    2   N3   C3   C3     90.408


TORSION ANGLES
   4    2    9    1    179.974
   5    2    9    1      0.026
  10    2    9    1      0.026
   6    3    8    1    179.974
   7    3    8    1      0.026
  11    3    8    1    179.974
   3    8    1    9    179.974
   2    9    1    8    179.974